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28880-25-3 | Pentanedioic acid, 1,4-diisooctyl ester
CAS No: 28880-25-3 Catalog No: AG002WXT MDL No:
Product Description
Catalog Number:
AG002WXT
Chemical Name:
Pentanedioic acid, 1,4-diisooctyl ester
CAS Number:
28880-25-3
IUPAC Name:
bis(6-methylheptyl) pentanedioate
InChI:
InChI=1S/C21H40O4/c1-18(2)12-7-5-9-16-24-20(22)14-11-15-21(23)25-17-10-6-8-13-19(3)4/h18-19H,5-17H2,1-4H3
InChI Key:
SFNLXSGWZBPIIX-UHFFFAOYSA-N
EC Number:
249-283-4
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.293g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.547g/mol
Monoisotopic Mass:
356.293g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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